3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one

C14H15F2NO — CID 91413237

IUPAC3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C14H15F2NO/c15-12-6-4-11(13(16)10-12)5-7-14(18)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyHQZVKXBKNZGSFK-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.99
Rot. Bonds2

About 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one

3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 91413237) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID91413237
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C14H15F2NO/c15-12-6-4-11(13(16)10-12)5-7-14(18)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyHQZVKXBKNZGSFK-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one
CID 11109165
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
(E)-3-(3-fluoro-4-methylphenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 141141574
3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid
CID 79156921
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
1-(azepan-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 102603138
3-(2-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84925595
1-[3-(2,4-difluorophenyl)prop-2-enoyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 74501370
3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 4094225

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one (CID 91413237) is 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one is O=C(C=Cc1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is HQZVKXBKNZGSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c15-12-6-4-11(13(16)10-12)5-7-14(18)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2.
What are the key properties of 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one?
3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 251.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 91413237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).